dipotassium tetrahydrate oxoboranyl [(oxoboranyl boronato)oxy]boronate

• ChemBase编号: 137951
• 分子式: B4H10K2O11
• 平均质量: 307.5134
• 单一同位素质量: 307.9869461
• SMILES: [BH](=O)OB(OB(O[BH]=O)[O-])[O-].O.O.O.O.[K+].[K+]
• Canonical SMILES: O=[BH]OB(OB(O[BH]=O)[O-])[O-].O.O.O.O.[K+].[K+]
• InChI: InChI=1S/B4O7.2K.4H2O/c5-1-9-3(7)11-4(8)10-2-6;;;;;;/h;;;4*1H2/q-2;2*+1
• InChIKey: HPERZVLSBPUYIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dipotassium tetrahydrate oxoboranyl [(oxoboranyl boronato)oxy]boronate
• IUPAC传统名: dipotassium tetrahydrate oxoboranyl (oxoboranyl boronato)oxyboronate
• 别名: 硼酸钾; 四硼酸钾 四水合物; 四硼酸钾四水合物; Potassium biborate; Potassium tetraborate tetrahydrate; Potassium borate (tetra)

登记号

• CAS号: 12045-78-2
• EC号: 215-575-5
• MDL号: MFCD00149924
• 默克索引号: 147680
• PubChem SID: 162232211; 24881910; 24881912; 24847270
• PubChem CID: 71310090

理论计算性质

• Acid pKa: 8.192749
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.4375246
• LogD (pH = 7.4): 3.3738635
• Log P: 3.4384
• 摩尔折射率: 9.8222 cm^3
• 极化性: 11.404126 Å^3
• 极化表面积: 107.95 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble0.1 M at 20 °C, clear, colorless; Soluble in water
• 外观: Granular
• 熔点: 100 °C(lit.); dec.
• 密度: 1.74 (anhy)
• 紫外吸收波长: λ: 260 nm Amax: 0.027; λ: 280 nm Amax: 0.026
• pH值: 9.0-10.5 (25 °C, 0.1 M in H2O)

安全信息

• 欧盟危险性物质标志: 有毒(Toxic) (T); X
• 德国WGK号: 3
• 危险公开号: 60-61
• 安全公开号: 53-45
• TSCA收录: 是
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H360; H360FD
• GHS警示性声明: P201-P308 + P313; P201-P308+P313
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99%; ≥99.0% (T); 99%
• 级别: purum p.a.
• 杂质: ≤0.002% heavy metals (as Pb); insoluble matter, passes filter test
• 痕量阳离子: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤20 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤1000 mg/kg; Na: ≤5000 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤20 mg/kg; Zn: ≤50 mg/kg
• 痕量阴离子: chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤50 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤50 mg/kg; sulfate (SO42-): ≤500 mg/kg
• λ: 0.1 M in H2O
• 产品线: BioUltra
• 线性分子式: K2B4O7 · 4H2O